4-Pentylphenyl 4?-pentyl[1,1?-biphenyl]-4-carboxylate

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C29H34O2
Molecular Weight	414.5791
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-Pentylphenyl 4?-pentyl[1,1?-biphenyl]-4-carboxylate

Structure Search

SMILES

CCCCCC1=CC=C(OC(=O)C2=CC=C(C=C2)C3=CC=C(CCCCC)C=C3)C=C1

InChI

InChIKey=HYRFINJDWFLMME-UHFFFAOYSA-N

InChI=1S/C29H34O2/c1-3-5-7-9-23-11-15-25(16-12-23)26-17-19-27(20-18-26)29(30)31-28-21-13-24(14-22-28)10-8-6-4-2/h11-22H,3-10H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C29H34O2
Molecular Weight	414.5791
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 17:48:18 GMT 2025` Edited by `admin` on `Tue Apr 01 17:48:18 GMT 2025`
Record UNII	CG4RM75AYT
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

[1,1?-Biphenyl]-4-carboxylic acid, 4?-pentyl-, 4-pentylphenyl ester

Preferred Name

English

4-Pentylphenyl 4?-pentyl[1,1?-biphenyl]-4-carboxylate

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID8069355

Created by admin on Tue Apr 01 17:48:18 GMT 2025 , Edited by admin on Tue Apr 01 17:48:18 GMT 2025

PRIMARY

CAS

59748-19-5

Created by admin on Tue Apr 01 17:48:18 GMT 2025 , Edited by admin on Tue Apr 01 17:48:18 GMT 2025

PRIMARY

ECHA (EC/EINECS)

261-908-2

Created by admin on Tue Apr 01 17:48:18 GMT 2025 , Edited by admin on Tue Apr 01 17:48:18 GMT 2025

PRIMARY

FDA UNII

CG4RM75AYT

Created by admin on Tue Apr 01 17:48:18 GMT 2025 , Edited by admin on Tue Apr 01 17:48:18 GMT 2025

PRIMARY

PUBCHEM

108825

Created by admin on Tue Apr 01 17:48:18 GMT 2025 , Edited by admin on Tue Apr 01 17:48:18 GMT 2025

PRIMARY